methyl 2-[2-(pent-4-enoylamino)propanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[2-(pent-4-enoylamino)propanoylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[2-(pent-4-enoylamino)propanoylamino]-3-phenyl-propanoate CAS Name: 2-[[1-oxo-2-(1-oxopent-4-enylamino)propyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[2-(pent-4-enoylamino)propanoylamino]-3-phenylpropanoate Traditional Name: 2-[2-(pent-4-enoylamino)propanoylamino]-3-phenyl-propionic acid methyl ester Formula: C18H24N2O4 MolecularWeight: 332.39416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)NC(=O)CCC=C

Isomeric SMILES

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)NC(=O)CCC=C

InChI

InChI=1S/C18H24N2O4/c1-4-5-11-16(21)19-13(2)17(22)20-15(18(23)24-3)12-14-9-7-6-8-10-14/h4,6-10,13,15H,1,5,11-12H2,2-3H3,(H,19,21)(H,20,22)